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CHEBI:228890 - Neoandrographolide
| Formula | C26H40O8 |
| Net Charge | 0 |
| Average Mass | 480.598 |
| Monoisotopic Mass | 480.27232 |
| SMILES | [H][C@]12CCC(=C)[C@@H](CCC3=CCOC3=O)[C@]1(C)CCC[C@@]2(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3/t17-,18-,19-,20-,21+,22-,24-,25+,26+/m1/s1 |
| InChIKey | YGCYRQKJYWQXHG-RDNQFMDVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Zea mays (ncbitaxon:4577) | exometabolome | MetaboLights (MTBLS8903) |
| Roles Classification |
|---|
| Biological Role: | immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Neoandrographolide (CHEBI:228890) has role antineoplastic agent (CHEBI:35610) |
| Neoandrographolide (CHEBI:228890) has role immunosuppressive agent (CHEBI:35705) |
| Neoandrographolide (CHEBI:228890) is a diterpene glycoside (CHEBI:71939) |
| IUPAC Name |
|---|
| 4-[2-[(1R,4aS,5R,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-uran-5-one |
| Synonyms | Source |
|---|---|
| Neoandrographiside | ChEMBL |
| (-)-neoandrographolide | ChEMBL |
| Neoandrographolide | ChEMBL |
| Manual Xrefs | Databases |
|---|---|
| 8023737 | ChemSpider |
| Citations |
|---|